8009-7705 Screening compound: N'~4~-[2-oxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]isonicotinohydrazide

8009-7705 Screening compound: N'~4~-[2-oxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]isonicotinohydrazide
8009-7705 Screening compound: N'~4~-[2-oxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]isonicotinohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7705
N'~4~-[2-oxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]isonicotinohydrazide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8009-7705

Molecular Formula

C12H9N3O2S4 (C12 H9 N3 O2 S4)

Compound Name

N'~4~-[2-oxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]isonicotinohydrazide

IUPAC name

N'-{2-oxo-2H5H6H7H-[13]dithiolo[45-b][14]dithiepin-6-ylidene}pyridine-4-carbohydrazide

SMILES

O=C(c1ccncc1)NN=C1CSC(SC(S2)=O)=C2SC1

InChI

InChI=1S/C12H9N3O2S4/c16-9(7-1-3-13-4-2-7)15-14-8-5-18-10-11(19-6-8)21-12(17)20-10/h1-4H,5-6H2,(H,15,16)

InChI Key

XASXGXZKFYGBNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.430

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.36

Polar Surface Area

58.828

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8009-7705 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7705?
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What is the minimum amount of 8009-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7705
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8009-7705 available by request